Bis(hexahydro-7a-methyl-3-oxo-3H-pyrrolizin-5-yl)ether

HCID 587239

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Basic information

CAS: 122746-21-8
Standard SMILES: CC12CCC(=O)N1C(OC1CCC3(C)CCC(=O)N13)CC2
InChIKey: QYSAXIVSXFNBIU-UHFFFAOYSA-N
Molecular formula: C16H24N2O3
Average molar mass: 292.37 g/mol
Monoisotopic mass: 292.17869263

Names & identifiers

Preferred name: Bis(hexahydro-7a-methyl-3-oxo-3H-pyrrolizin-5-yl)ether
IUPAC: 8-methyl-5-[(8-methyl-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-3-yl)oxy]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

Names & synonyms

Bis(hexahydro-7a-methyl-3-oxo-3H-pyrrolizin-5-yl)etherQYSAXIVSXFNBIU-UHFFFAOYSA-NDTXSID501016368122746-21-85,5'-Oxybis(7a-methylhexahydro-3H-pyrrolizin-3-one)3H-Pyrrolizin-3-one, 5,5'-oxybis[hexahydro-7a-methyl-

Database identifiers

CAS: 122746-21-8
PubChem CID: 587239
DTXSID: DTXSID501016368

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 464

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